N,N,1-trimethyl-1,2,4-triazole-3-carboxamide

C6H10N4O — CID 59693974

IUPACN,N,1-trimethyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)C(=O)c1ncn(C)n1
InChIInChI=1S/C6H10N4O/c1-9(2)6(11)5-7-4-10(3)8-5/h4H,1-3H3
InChIKeyOKZVZMOEMHJPIN-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.48
Rot. Bonds1

About N,N,1-trimethyl-1,2,4-triazole-3-carboxamide

N,N,1-trimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 59693974) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N,N,1-trimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-1,2,4-triazole-3-carboxamide
PubChem CID59693974
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN,N,1-trimethyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)C(=O)c1ncn(C)n1
InChIInChI=1S/C6H10N4O/c1-9(2)6(11)5-7-4-10(3)8-5/h4H,1-3H3
InChIKeyOKZVZMOEMHJPIN-UHFFFAOYSA-N
XLogP-0.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1,2,4-triazole-3-carboxylate
CID 52987606
N,N-dimethyl-6-(1-methyl-1,2,4-triazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;oxalic acid
CID 155870390
1-(trideuteriomethyl)-1,2,4-triazole-3-carboxylic acid
CID 175993030
(1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone
CID 131084165
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
CID 103883730
1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103885543
2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide
CID 116621752
N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80683221
N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-N,1-dimethyl-1,2,4-triazole-3-carboxamide
CID 178112536
2-bromo-N,N,1-trimethylimidazole-4-carboxamide
CID 164650738
4-amino-N,N-dimethylpyrimidine-2-carboxamide
CID 117212988
1-tert-butyl-N,N-dimethylimidazole-2-carboxamide
CID 58336927

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,N,1-trimethyl-1,2,4-triazole-3-carboxamide (CID 59693974) is N,N,1-trimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-1,2,4-triazole-3-carboxamide is CN(C)C(=O)c1ncn(C)n1.
What is the InChIKey of N,N,1-trimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is OKZVZMOEMHJPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-9(2)6(11)5-7-4-10(3)8-5/h4H,1-3H3.
What are the key properties of N,N,1-trimethyl-1,2,4-triazole-3-carboxamide?
N,N,1-trimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 59693974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).